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ASINEX-ZINC02065105

 MMsINC code: MMs00262626
Type: Ionized
Formula: C10H10N3O4S2-
SMILES:   s1nc2c(n1)cccc2S(=O)(=O)NCCCC(=O)[O-]
InChI:   InChI=1/C10H11N3O4S2/c14-9(15)5-2-6-11-19(16,17)8-4-1-3-7-10(8)13-18-12-7/h1,3-4,11H,2,5-6H2,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=-2.583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.339 g/mol  logS: -2.07259  SlogP: -0.5003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108295  Sterimol/B1: 2.18404  Sterimol/B2: 4.55783  Sterimol/B3: 5.50451
  Sterimol/B4: 5.55347  Sterimol/L: 13.6892 
 
 Surface and Volume Properties
  Accessible surface: 476.028  Positive charged surface: 255.911  Negative charged surface: 220.117  Volume: 236.5
  Hydrophobic surface: 193.092  Hydrophilic surface: 282.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs00262625
ASINEX-ZINC02065105